6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid

C12H19NO3 — CID 43529248

IUPAC6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid
SMILESC=CCN(CC=C)C(=O)CCCCC(=O)O
InChIInChI=1S/C12H19NO3/c1-3-9-13(10-4-2)11(14)7-5-6-8-12(15)16/h3-4H,1-2,5-10H2,(H,15,16)
InChIKeyJZKJVJYKVXYGBM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.83
Rot. Bonds9

About 6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid

6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid (PubChem CID 43529248) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid
PubChem CID43529248
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid
SMILESC=CCN(CC=C)C(=O)CCCCC(=O)O
InChIInChI=1S/C12H19NO3/c1-3-9-13(10-4-2)11(14)7-5-6-8-12(15)16/h3-4H,1-2,5-10H2,(H,15,16)
InChIKeyJZKJVJYKVXYGBM-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

10-oxo-N,N-bis(prop-2-enyl)undecanamide
CID 170397182
10-oxo-N,N-bis(prop-2-enyl)decanamide
CID 143467554
[5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium
CID 21354902
2-[dodecanoyl(prop-2-enyl)amino]acetic acid
CID 79264275
4-oxo-N,N-bis(prop-2-enyl)butanamide
CID 173364816
decanedioic acid;prop-2-enoic acid
CID 87433899
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
buta-1,3-diene;decanedioic acid
CID 87614862
5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
CID 107910751
octadec-17-enoic acid
CID 5312444

Frequently Asked Questions

What is the IUPAC name of 6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid (CID 43529248) is 6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid is C=CCN(CC=C)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid?
The InChIKey is JZKJVJYKVXYGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-9-13(10-4-2)11(14)7-5-6-8-12(15)16/h3-4H,1-2,5-10H2,(H,15,16).
What are the key properties of 6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid?
6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid has a molecular weight of 225.29 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 43529248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).